Ac6SnRh2I3
Alexandria ALEXAlex-ID: agm004635477 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_175_spg12
Ac5Sn3 Ac2SnI2 Ac2RhI Ac
2022-06-28 23:37:39.231800
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004635477).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm004635477
data_agm004635477
_cell_length_a 7.89754
_cell_length_b 7.89754
_cell_length_c 8.93870
_cell_angle_alpha 98.51865
_cell_angle_beta 98.51865
_cell_angle_gamma 120.00149
_cell_volume 461.13976
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ac1 Ac 0.93560 0.57269 0.80719 1.00000
Ac2 Ac 0.70171 0.70171 0.19190 1.00000
Ac3 Ac 0.06440 0.42731 0.19281 1.00000
Ac4 Ac 0.57269 0.93560 0.80719 1.00000
Ac5 Ac 0.29829 0.29829 0.80810 1.00000
Ac6 Ac 0.42731 0.06440 0.19281 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.33280 0.66720 0.00000 1.00000
Rh2 Rh 0.66720 0.33280 0.00000 1.00000
I1 I 0.15964 0.84036 0.50000 1.00000
I2 I 0.84036 0.15964 0.50000 1.00000
I3 I 0.50000 0.50000 0.50000 1.00000
获取直接链接